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23257-58-1

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Basic Information
CAS No.: 23257-58-1
Name: Levoxadrol
Molecular Structure:
Molecular Structure of 23257-58-1 (Levoxadrol)
Formula: C20H23 N O2 . Cl H
Molecular Weight: 345.90
Synonyms: Piperidine,2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride (8CI); Piperidine,2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride, [R-(R*,R*)]-; Piperidine,2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-, hydrochloride, (2R)- (9CI); CL 912C;Levoxadrol hydrochloride; Levoxan; NIH 10374; NSC 526062; NSC 526063
Density: g/cm3
Melting Point: 248-254 °C
Boiling Point: 468.4°Cat760mmHg
Flash Point: 237.1°C
Safety: Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 30.49000
LogP: 4.57600
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Chemistry

Molecular Structure of Levoxadrol hydrochloride (CAS NO. 23257-58-1):

IUPAC Name: (2R)-2-Methyl-2-[(4R)-4-methyl-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine hydrochloride  
Molecular Formula: C22H28ClNO2
Molecular Weight: 373.916220 g/mol
H-Bond Donor: 2
H-Bond Acceptor: 3
Canonical SMILES: CC1(CCCCN1)C2(COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.Cl
Isomeric SMILES: C[C@@]1(CCCCN1)[C@@]2(COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.Cl
InChI: InChI=1S/C22H27NO2.ClH/c1-20(15-9-10-16-23-20)21(2)17-24-22(25-21,18-11-5-3-6-12-18)19-13-7-4-8-14-19;/h3-8,11-14,23H,9-10,15-17H2,1-2H3;1H/t20-,21+;/m1./s1
InChIKey: FAVXTRMOUJUBQT-BHDTVMLSSA-N
Flash Point: 237.1 °C
Enthalpy of Vaporization: 74.45 kJ/mol
Boiling Point: 468.4 °C at 760 mmHg
Vapour Pressure of Levoxadrol hydrochloride (CAS NO. 23257-58-1): 3.6E-09 mmHg at 25 °C

Toxicity Data With Reference

1.    

orl-rat LD50:310 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105.
2.    

orl-mus LD60:230 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105.
3.    

ivn-rbt LD50:25 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105.

Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

  Levoxadrol hydrochloride with cas registry number of 23257-58-1 is also known as (-)-2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride ; CL 912C ; Levoxadrol HCl ; Levoxadrol hydrochloride [USAN] ; Levoxan ; NSC 526063 ; Relane ; U 22559A ; U-22,304A ; UNII-3ARD9VMM81 ; l-2,2-Diphenyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride ; l-2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride ; l-Dioxadrol hydrochloride ; Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride ; Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride, l- .